6kxr - Revision history

OCA at 10:44, 27 March 2024

OCA — Wed, 27 Mar 2024 10:44:45 GMT

←Older revision		Revision as of 10:44, 27 March 2024
Line 3:		Line 3:
	<StructureSection load='6kxr' size='340' side='right'caption='[[6kxr]], [[Resolution\|resolution]] 2.45Å' scene=''>		<StructureSection load='6kxr' size='340' side='right'caption='[[6kxr]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6kxr]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Stra7 Stra7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6kxr]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_ambofaciens_ATCC_23877 Streptomyces ambofaciens ATCC 23877]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=MLT:D~~-~~MALATE'>MLT</scene></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.4507368Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[6kxp\|6kxp]], [[6kxh\|6kxh]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MLT:D-MALATE'>MLT</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>SAMT0137, SAMT0138 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~278992 STRA7])</td~~><~~/tr>~~	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6kxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kxr OCA], [https://pdbe.org/6kxr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6kxr RCSB], [https://www.ebi.ac.uk/pdbsum/6kxr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6kxr ProSAT]</span></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.9 and 3.3.2.10 3.3.2.9 and 3.3.2.10]~~ </~~span~~></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6kxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kxr OCA], [~~http~~://pdbe.org/6kxr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6kxr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6kxr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6kxr ProSAT]</span></td></tr>	+
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/A0A0K2AJY3_STRA7 A0A0K2AJY3_STRA7]
-	Epoxide hydrolases (EHs) have been characterized and engineered as biocatalysts that convert epoxides to valuable chiral vicinal diol precursors of drugs and bioactive compounds. Nonetheless, the regioselectivity control of the epoxide ring opening by EHs remains challenging. Alp1U is an alpha/beta-fold EH that exhibits poor regioselectivity in the epoxide hydrolysis of fluostatin C (1), and produces a pair of stereoisomers. Herein, we established the absolute configuration of the two stereoisomeric products and determined the crystal structure of Alp1U. A W186/W187/Y247 oxirane oxygen hole was identified in Alp1U that replaced the canonical Tyr/Tyr pair in alpha/beta-EHs. Mutation of residues in the atypical oxirane oxygen hole of Alp1U improved the regioselectivity for epoxide hydrolysis on 1. The single site Y247F mutation led to highly regioselective (98%) attack at C-3 of 1, while the double mutation W187F/Y247F resulted in regioselective (94%) nucleophilic attack at C-2. Furthermore, single crystal X-ray structures of the two regioselective Alp1U variants in complex with 1 were determined. These findings allowed insights into the reaction details of Alp1U, and provided a new approach for engineering regioselective epoxide hydrolases.	+
-		+
-	Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha/beta-fold epoxide hydrolase Alp1U.,Zhang L, De BC, Zhang W, Mandi A, Fang Z, Yang C, Zhu Y, Kurtan T, Zhang C J Biol Chem. 2020 Oct 1. pii: ~~RA120.015563. doi: 10.1074~~/~~jbc.RA120.015563. PMID:33004437<ref>PMID:33004437<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 6kxr" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references~~/>	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Hydrolase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Stra7~~]]	+	[[Category: Streptomyces ambofaciens ATCC 23877]]
-	[[Category: De~~, B C~~]]	+	[[Category: De BC]]
-	[[Category: Yingli, Z]]	+	[[Category: Yingli Z]]
-	[[Category: Zhang, C]]	+	[[Category: Zhang C]]
-	[[Category: Zhang, L]]	+	[[Category: Zhang L]]
-	~~[[Category: Cis-vicinal diol]]~~	+
-	~~[[Category: Hydrolyse epoxide~~]]	+

OCA at 06:53, 30 December 2020

OCA — Wed, 30 Dec 2020 06:53:36 GMT

←Older revision		Revision as of 06:53, 30 December 2020
Line 5:		Line 5:
	<table><tr><td colspan='2'>[[6kxr]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Stra7 Stra7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>		<table><tr><td colspan='2'>[[6kxr]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Stra7 Stra7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MLT:D-MALATE'>MLT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MLT:D-MALATE'>MLT</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6kxp\|6kxp]], [[6kxh\|6kxh]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6kxp\|6kxp]], [[6kxh\|6kxh]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SAMT0137, SAMT0138 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=278992 STRA7])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SAMT0137, SAMT0138 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=278992 STRA7])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.9 and 3.3.2.10 3.3.2.9 and 3.3.2.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.9 and 3.3.2.10 3.3.2.9 and 3.3.2.10] </span></td></tr>

OCA at 06:07, 14 October 2020

OCA — Wed, 14 Oct 2020 06:07:10 GMT

←Older revision		Revision as of 06:07, 14 October 2020
Line 1:		Line 1:

	==Crystal structure of wild type Alp1U from the biosynthesis of kinamycins==		==Crystal structure of wild type Alp1U from the biosynthesis of kinamycins==
-	<StructureSection load='6kxr' size='340' side='right'caption='[[6kxr]]' scene=''>	+	<StructureSection load='6kxr' size='340' side='right'caption='[[6kxr]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6kxr]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Stra7 Stra7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6kxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kxr OCA], [http://pdbe.org/6kxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6kxr RCSB], [http://www.ebi.ac.uk/pdbsum/6kxr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6kxr ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MLT:D-MALATE'>MLT</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6kxp\|6kxp]], [[6kxh\|6kxh]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SAMT0137, SAMT0138 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=278992 STRA7])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.9 and 3.3.2.10 3.3.2.9 and 3.3.2.10] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6kxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kxr OCA], [http://pdbe.org/6kxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6kxr RCSB], [http://www.ebi.ac.uk/pdbsum/6kxr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6kxr ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Epoxide hydrolases (EHs) have been characterized and engineered as biocatalysts that convert epoxides to valuable chiral vicinal diol precursors of drugs and bioactive compounds. Nonetheless, the regioselectivity control of the epoxide ring opening by EHs remains challenging. Alp1U is an alpha/beta-fold EH that exhibits poor regioselectivity in the epoxide hydrolysis of fluostatin C (1), and produces a pair of stereoisomers. Herein, we established the absolute configuration of the two stereoisomeric products and determined the crystal structure of Alp1U. A W186/W187/Y247 oxirane oxygen hole was identified in Alp1U that replaced the canonical Tyr/Tyr pair in alpha/beta-EHs. Mutation of residues in the atypical oxirane oxygen hole of Alp1U improved the regioselectivity for epoxide hydrolysis on 1. The single site Y247F mutation led to highly regioselective (98%) attack at C-3 of 1, while the double mutation W187F/Y247F resulted in regioselective (94%) nucleophilic attack at C-2. Furthermore, single crystal X-ray structures of the two regioselective Alp1U variants in complex with 1 were determined. These findings allowed insights into the reaction details of Alp1U, and provided a new approach for engineering regioselective epoxide hydrolases.
		+
		+	Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha/beta-fold epoxide hydrolase Alp1U.,Zhang L, De BC, Zhang W, Mandi A, Fang Z, Yang C, Zhu Y, Kurtan T, Zhang C J Biol Chem. 2020 Oct 1. pii: RA120.015563. doi: 10.1074/jbc.RA120.015563. PMID:33004437<ref>PMID:33004437</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6kxr" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Hydrolase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Bidhan CD~~]]	+	[[Category: Stra7]]
-	[[Category: Yingli Z]]	+	[[Category: De, B C]]
-	[[Category: Zhang C]]	+	[[Category: Yingli, Z]]
-	[[Category: Zhang L]]	+	[[Category: Zhang, C]]
		+	[[Category: Zhang, L]]
		+	[[Category: Cis-vicinal diol]]
		+	[[Category: Hydrolyse epoxide]]

OCA at 09:45, 16 September 2020

OCA — Wed, 16 Sep 2020 09:45:00 GMT

←Older revision		Revision as of 09:45, 16 September 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6kxr is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of wild type Alp1U from the biosynthesis of kinamycins==
-		+	<StructureSection load='6kxr' size='340' side='right'caption='[[6kxr]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KXR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6KXR FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6kxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kxr OCA], [http://pdbe.org/6kxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6kxr RCSB], [http://www.ebi.ac.uk/pdbsum/6kxr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6kxr ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Bidhan CD]]
		+	[[Category: Yingli Z]]
		+	[[Category: Zhang C]]
		+	[[Category: Zhang L]]

OCA at 05:15, 15 April 2020

OCA — Wed, 15 Apr 2020 05:15:36 GMT

←Older revision		Revision as of 05:15, 15 April 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6kxr is ON HOLD	+	The entry 6kxr is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6kxr" [edit=sysop:move=sysop]

OCA — Wed, 02 Oct 2019 06:57:16 GMT

Protected "6kxr" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:57, 2 October 2019

OCA: New page: '''Unreleased structure''' The entry 6kxr is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 02 Oct 2019 06:57:14 GMT

New page: '''Unreleased structure''' The entry 6kxr is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6kxr is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]